| SpectraBase Compound ID | FaMWQQkcLfJ |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-17-11-5-6-12-18(17)24-20(22)14-8-7-13-19(21)23-15-9-10-16(2)3/h16-18H,4-15H2,1-3H3 |
| InChIKey | CLMJOWWGAICJOH-UHFFFAOYSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ER0qtwLSqxu |
|---|---|
| Name | Adipic acid, 2-ethylcyclohexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-4-17-11-5-6-12-18(17)24-20(22)14-8-7-13-19(21)23-15-9-10-16(2)3/h16-18H,4-15H2,1-3H3 |
| InChIKey | CLMJOWWGAICJOH-UHFFFAOYSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | C(CCC(=O)OC1C(CCCC1)CC)CC(OCCCC(C)C)=O |